SCHEMBL8249720

SCHEMBL8249720

CCCCOc1ccc(C)nc1Cn1c(C(=O)O)nc2ccc(CNc3cc(C)ccc3CCCO)cc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.36
▸ AGTR2 P50052 3/20 0.33
▸ AGTR1 P30556 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ LMNA P02545 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8249756 0.94 LMNA (0.33) PLK1AGTR2AGTR1PPARGLMNA
SCHEMBL12884195 0.91 PTGER1 (0.37) PPARGLMNA
SCHEMBL8241502 0.89 HTT (0.41) PLK1P2RX3LMNA
SCHEMBL8251911 0.87 PLK1 (0.34) PLK1AGTR2AGTR1PPARG
SCHEMBL12884207 0.85 PTGER1 (0.36) PLK1LMNA
SCHEMBL8242374 0.82 AGTR2 (0.39) AGTR2AGTR1PPARG
SCHEMBL8252428 0.81 KDR (0.32) PLK1PPARGLMNA
SCHEMBL12884184 0.81 HTT (0.43) LMNA
SCHEMBL8286263 0.81 CSF1R (0.44) LMNA
SCHEMBL8284704 0.80 LMNA (0.40) LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896450-B1 2-SUBSTITUTED BENZIMIDAZOLES JANSSEN R & D IRELAND (IE) 2012-08-15 — — EP disclosed
US-7884215-B2 2-substituted benzimidazoles JANSSEN SCIENCES IRELAND UC (IE) 2011-02-08 — — US disclosed
US-20100092426-A1 2-SUBSTITUTED BENZIMIDAZOLES JANSSEN SCIENCES IRELAND UC (IE) 2010-04-15 — — US disclosed
WO-2006136563-A1 2-SUBSTITUTED BENZIMIDAZOLES TIBOTEC PHARMACEUTICALS LTD (IE) 2006-12-28 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100092426-A1 2-SUBSTITUTED BENZIMIDAZOLES HTR4, HRH4, HTR3C PLK1 2782/4885AGTR2 82/4885AGTR1 56/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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